Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.54 |
| ▸ | ATM | Q13315 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | CA2 | P00918 | 4/20 | 0.48 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.43 |
| ▸ | PRSS2 | P07478 | 1/20 | 0.43 |
| ▸ | PRSS3 | P35030 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.38 |
| ▸ | MMP8 | P22894 | 1/20 | 0.38 |
| ▸ | MMP14 | P50281 | 1/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.37 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2919402 | 0.85 | CYP3A4 (0.54) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL19595702 | 0.84 | CYP3A4 (0.53) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL11216636 | 0.83 | CYP3A4 (0.55) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL15934 | 0.82 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL15658731 | 0.82 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL2917189 | 0.81 | CYP3A4 (0.50) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL2917397 | 0.81 | CYP3A4 (0.49) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL11749964 | 0.79 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL1375402 | 0.78 | CYP3A4 (0.47) | CYP3A4TSHRTDP1ATMALDH1A1 | |
| SCHEMBL11663755 | 0.77 | CYP3A4 (0.51) | CYP3A4TSHRTDP1ATMALDH1A1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106187759-B | Guerbet alcohol cyclopentane-carboxylic acid ester lubricant and preparation method thereof | 中国科学院兰州化学物理研究所 | 2019-04-05 | — | — | CN | disclosed |